[2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate

C18H17N3O3 — CID 2541133

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCN(C(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-2-21(13-8-4-3-5-9-13)16(22)12-24-18(23)17-14-10-6-7-11-15(14)19-20-17/h3-11H,2,12H2,1H3,(H,19,20)
InChIKeySASCBOSCKQJKAI-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.77
Rot. Bonds5

About [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2541133) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2541133
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCN(C(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-2-21(13-8-4-3-5-9-13)16(22)12-24-18(23)17-14-10-6-7-11-15(14)19-20-17/h3-11H,2,12H2,1H3,(H,19,20)
InChIKeySASCBOSCKQJKAI-UHFFFAOYSA-N
XLogP2.77
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2541133) is [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is CCN(C(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is SASCBOSCKQJKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-21(13-8-4-3-5-9-13)16(22)12-24-18(23)17-14-10-6-7-11-15(14)19-20-17/h3-11H,2,12H2,1H3,(H,19,20).
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2541133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).